CM3891-0491 Screening compound: 3-(3,5-dimethoxybenzyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol

CM3891-0491 Screening compound: 3-(3,5-dimethoxybenzyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol
CM3891-0491 Screening compound: 3-(3,5-dimethoxybenzyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3891-0491
3-(3,5-dimethoxybenzyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

CM3891-0491

Molecular Formula

C22H36N2O3 (C22 H36 N2 O3)

Compound Name

3-(3,5-dimethoxybenzyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol

IUPAC name

3-[(35-dimethoxyphenyl)methyl]-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol

SMILES

CN(C)CC(CC1)(CCC11CCN(Cc2cc(OC)cc(OC)c2)CC1)O

InChI

InChI=1S/C22H36N2O3/c1-23(2)17-22(25)7-5-21(6-8-22)9-11-24(12-10-21)16-18-13-19(26-3)15-20(14-18)27-4/h13-15,25H,5-12,16-17H2,1-4H3

InChI Key

WZLRSRVPIGNBJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30465367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

-1.159

Water Solubility, LogSw

-1.91

Polar Surface Area

38.439

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

10.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.73

CM3891-0491 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM3891-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3891-0491?
Check Price and Availability of CM3891-0491, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of CM3891-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3891-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3891-0491
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of CM3891-0491 available by request